SCHEMBL215368

SCHEMBL215368

CC(=O)c1ccccc1-n1cnc(C(=O)Nc2nc3ccccc3[nH]2)c1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.48
RAB9A P51151 10/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
PKM P14618 4/20 0.47
LMNA P02545 3/20 0.47
HSP90AA1 P07900 1/20 0.47
PAX8 Q06710 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
OPRK1 P41145 1/20 0.45
KLF5 Q13887 1/20 0.45
ALDH1A1 P00352 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL215727 0.83 CYP3A4 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL213793 0.76 RAB9A (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL215093 0.76 RAB9A (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL213387 0.75 RAB9A (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL216069 0.74 MPO (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL27724289 0.73 NPC1 (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL214714 0.73 MAPT (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL217372 0.72 HCRTR1 (0.41) RAB9AMEN1KMT2ALMNACYP3A4
SCHEMBL215784 0.72 MPO (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL216561 0.72 MAPT (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 NPC1 3307/4885RAB9A 2213/4885MEN1 3504/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.